4UWI

Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a pyrazole sulphonamide ligand

Summary for 4UWI

• Entry DOI: 10.2210/pdb4uwi/pdb
• Related: 4UWJ
• Descriptor: GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, 2,6-dichloro-4-[3-(4-methylpiperazin-1-yl)propyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, TETRADECANOYL-COA, ... (4 entities in total)
• Functional Keywords: transferase, drug discovery
• Biological source: ASPERGILLUS FUMIGATUS
• Cellular location: Cytoplasm: Q9UVX3
• Total number of polymer chains: 1
• Total formula weight: 48497.15

Authors

Robinson, D.A.,Brand, S.,Norcross, N.R.,Thompson, S.,Harrison, J.R.,Smith, V.C.,Torrie, L.S.,McElroy, S.P.,Hallyburton, I.,Norval, S.,Stojanovski, L.,Simeons, F.R.C.,Frearson, J.A.,Brenk, R.,Fairlamb, A.H.,Ferguson, M.A.J.,Wyatt, P.G.,Gilbert, I.H.,Read, K.D. (deposition date: 2014-08-12, release date: 2014-12-03, Last modification date: 2018-02-14)

• Primary citation: Brand, S.,Norcross, N.R.,Thompson, S.,Harrison, J.R.,Smith, V.C.,Robinson, D.A.,Torrie, L.S.,McElroy, S.P.,Hallyburton, I.,Norval, S.,Scullion, P.,Stojanovski, L.,Simeons, F.R.,van Aalten, D.,Frearson, J.A.,Brenk, R.,Fairlamb, A.H.,Ferguson, M.A.,Wyatt, P.G.,Gilbert, I.H.,Read, K.D.; Lead optimization of a pyrazole sulfonamide series of Trypanosoma brucei N-myristoyltransferase inhibitors: identification and evaluation of CNS penetrant compounds as potential treatments for stage 2 human African trypanosomiasis.; J. Med. Chem., 57:9855-9869, 2014; PubMed: 25412409; DOI: 10.1021/jm500809c

Experimental method

X-RAY DIFFRACTION (1.8 Å)